Geometry & MOs

Info

ID:	28703
PubChem CID:	829054
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	301.095023
ΔH_f, kcal/mol:	-72.35
Dipole, Da:	4.45
IP(EA), eV:	-8.52(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)[C@H]2CC(=O)NC(=C2C#N)SCC)OC

DOS

IR

Vibrations